DIMETHYL 4-HYDROXYPHTHALATE(22479-95-4) IR2
Product NameDIMETHYL 4-HYDROXYPHTHALATE
CAS22479-95-4
Molecular FormulaC10H10O5
Molecular Weight210.18
InChIInChI=1S/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3
InChIKey JJXVDRYFBGDXOU-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=CC=C(O)C=C1C(OC)=O
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MassMS-NW-9410 dimethyl 4-hydroxyphthalate C10H10O5 (Mass of molecular ion: 210)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.2 39.0 1.8 52.0 1.2 53.0 1.5 62.0 1.6 63.0 4.8 64.0 1.6 65.0 5.2 80.0 1.6 92.0 3.5 93.0 5.2 95.0 1.4 108.0 4.8 119.0 1.8 120.0 2.7 121.0 2.7 136.0 3.3 149.0 7.7 150.0 1.1 151.0 6.7 179.0 100.0 180.0 10.1 181.0 1.9 210.0 28.0 211.0 3.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H10 O5 0.031 g : 0.5 ml CDCl3 dimethyl 4-hydroxyphthalate 
Assign. Shift(ppm)
A 7.83 B 7.723 C 7.000 D 6.918 E *1 3.895 F *1 3.858
Hz ppm Int.3090.82 7.734 165 3082.28 7.713 176 2798.83 7.004 159 2796.63 6.998 180 2770.39 6.933 123 2767.82 6.926 103 2761.84 6.911 116 2759.28 6.905 103 1556.64 3.896 1000 1541.87 3.859 962
in CDCl3
KBr disc
nujol mull
